1-[4-[4-[3-(benzylamino)imidazo[1,2-a]pyridin-2-yl]phenyl]piperazin-1-yl]ethanone

C26H27N5O — CID 164835750

IUPAC1-[4-[4-[3-(benzylamino)imidazo[1,2-a]pyridin-2-yl]phenyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2ccc(-c3nc4ccccn4c3NCc3ccccc3)cc2)CC1
InChIInChI=1S/C26H27N5O/c1-20(32)29-15-17-30(18-16-29)23-12-10-22(11-13-23)25-26(27-19-21-7-3-2-4-8-21)31-14-6-5-9-24(31)28-25/h2-14,27H,15-19H2,1H3
InChIKeyCTCVZOVKYLBHOO-UHFFFAOYSA-N
MW425.54 g/mol
LogP4.28
Rot. Bonds5

About 1-[4-[4-[3-(benzylamino)imidazo[1,2-a]pyridin-2-yl]phenyl]piperazin-1-yl]ethanone

1-[4-[4-[3-(benzylamino)imidazo[1,2-a]pyridin-2-yl]phenyl]piperazin-1-yl]ethanone (PubChem CID 164835750) has the molecular formula C26H27N5O and a molecular weight of 425.54 g/mol. Its IUPAC name is 1-[4-[4-[3-(benzylamino)imidazo[1,2-a]pyridin-2-yl]phenyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[4-[3-(benzylamino)imidazo[1,2-a]pyridin-2-yl]phenyl]piperazin-1-yl]ethanone
PubChem CID164835750
Molecular FormulaC26H27N5O
Molecular Weight425.54 g/mol
Exact Mass425.22
IUPAC Name1-[4-[4-[3-(benzylamino)imidazo[1,2-a]pyridin-2-yl]phenyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2ccc(-c3nc4ccccn4c3NCc3ccccc3)cc2)CC1
InChIInChI=1S/C26H27N5O/c1-20(32)29-15-17-30(18-16-29)23-12-10-22(11-13-23)25-26(27-19-21-7-3-2-4-8-21)31-14-6-5-9-24(31)28-25/h2-14,27H,15-19H2,1H3
InChIKeyCTCVZOVKYLBHOO-UHFFFAOYSA-N
XLogP4.28
TPSA52.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.54
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[4-[4-[3-(benzylamino)imidazo[1,2-a]pyridin-2-yl]phenyl]piperazin-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-benzyl-2-pyridin-4-ylimidazo[1,2-a]pyridin-3-amine
CID 70676789
[4-[3-(benzylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] 4-ethylbenzoate
CID 3349532
4-[3-[(4-methoxyphenyl)methylamino]imidazo[1,2-a]pyridin-2-yl]phenol
CID 858017
N-benzyl-2-[4-(3-chlorophenyl)phenyl]imidazo[1,2-a]pyridin-3-amine
CID 42601069
methyl 4-[3-[[4-(dimethylamino)phenyl]methylamino]imidazo[1,2-a]pyridin-2-yl]benzoate
CID 11003904
2-[4-[[[2-(4-ethylphenyl)imidazo[1,2-a]pyridin-3-yl]amino]methyl]phenyl]guanidine
CID 127040833
2-ethyl-N-[[4-(4-phenylpiperazin-1-yl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 121442149
1-[4-[4-[(6-bicyclo[3.1.0]hexa-1(6),2,4-trienylamino)methyl]phenyl]piperazin-1-yl]ethanone
CID 174657242
N-benzyl-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-amine
CID 808655
1-[4-[4-(methylaminomethyl)phenyl]piperazin-1-yl]ethanone
CID 43280986
2-[(4-methylphenyl)methylamino]imidazo[1,2-a]pyridine-3-carboxylic acid
CID 61357955
1-[4-[4-(benzylamino)pyrimidin-2-yl]piperazin-1-yl]ethanone
CID 54587266

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[3-(benzylamino)imidazo[1,2-a]pyridin-2-yl]phenyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[4-[3-(benzylamino)imidazo[1,2-a]pyridin-2-yl]phenyl]piperazin-1-yl]ethanone (CID 164835750) is 1-[4-[4-[3-(benzylamino)imidazo[1,2-a]pyridin-2-yl]phenyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[4-[3-(benzylamino)imidazo[1,2-a]pyridin-2-yl]phenyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[4-[3-(benzylamino)imidazo[1,2-a]pyridin-2-yl]phenyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(c2ccc(-c3nc4ccccn4c3NCc3ccccc3)cc2)CC1.
What is the InChIKey of 1-[4-[4-[3-(benzylamino)imidazo[1,2-a]pyridin-2-yl]phenyl]piperazin-1-yl]ethanone?
The InChIKey is CTCVZOVKYLBHOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O/c1-20(32)29-15-17-30(18-16-29)23-12-10-22(11-13-23)25-26(27-19-21-7-3-2-4-8-21)31-14-6-5-9-24(31)28-25/h2-14,27H,15-19H2,1H3.
What are the key properties of 1-[4-[4-[3-(benzylamino)imidazo[1,2-a]pyridin-2-yl]phenyl]piperazin-1-yl]ethanone?
1-[4-[4-[3-(benzylamino)imidazo[1,2-a]pyridin-2-yl]phenyl]piperazin-1-yl]ethanone has a molecular weight of 425.54 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-[3-(benzylamino)imidazo[1,2-a]pyridin-2-yl]phenyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 164835750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).